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[热点] 依托企业入选了国家启明计划青年人才。有无高校可以引进的。 我是勇敢牛牛 2026-02-09 刚刚
[MS] [已完结][关贴]求ZnS建模参数 (1ST强帖+1)(5/1058) dlthl 2011-04-22 2011-04-22 08:53:05 by fu19871111
[MS] 【求助】能带结构与态密度 (5/1589) guyudan 2011-03-24 2011-04-21 23:10:21 by yaoyinhua
[MS] 【求助】能带分析 (3/807) humeng0811 2011-04-08 2011-04-21 23:03:17 by yaoyinhua
[MS] 【求助】晶体能带计算求助 (2/319) fagege2010 2011-04-17 2011-04-21 22:59:15 by yaoyinhua
[MS] [已完结][关贴]六方ZnS建模参数,原子坐标 (1/1858) dlthl 2011-04-21 2011-04-21 22:14:43 by hn19870519
[MS] [已完结]建模求助    ( 1 2 ) (12/604) 朱雪婷 2011-04-18 2011-04-21 19:45:12 by 朱雪婷
[MS] 【求助】请问+U是在几何优化还是再性质计算的时候用呢? (8/1546) freshman8185 2011-04-07 2011-04-21 19:16:01 by hecking
[MS] 关于K值和截带能    ( 1 2 ) (金币≥20)(11/84) wuyan070987 2011-04-19 2011-04-21 15:45:06 by wuyan070987
[MS] 【求助完成】权重怎么影响能带结构和态密度的,大家讨论一下吧。 (3/1307) Gina88 2011-04-20 2011-04-21 12:56:20 by bingmou
[MS] [已完结][关贴]自由基几何结构优化,能量先下降后上升,最后出错了 (0/1205) wzh871115 2011-04-21 2011-04-21 11:33:08 by wzh871115
[MS] [已完结]能量的问题急需帮忙 (2/305) convenient 2011-04-21 2011-04-21 11:03:25 by convenient
[MS] 【求助完成】ms5刚开始能计算,运行了几天之后不知道为什么一直显示running (5/1082) wuyan070987 2011-04-17 2011-04-21 09:01:28 by wuyan070987
[MS] [已完结]关于Material Studio中复杂结构的构建问题 (金币≥200)(1/67) tongji888 2011-04-20 2011-04-20 22:43:57 by sars518
[MS] [已完结]搜索过渡态中出现的问题 (0/507) qi-cheng 2011-04-20 2011-04-20 20:42:13 by qi-cheng
[MS] 请问截止能是不是只跟体系中的原子种类和赝势类型有关,与体系原子数无关? (5/1129) yaodu 2011-04-19 2011-04-20 20:07:29 by bingmou
[MS] [已完结]MS 中分子键长无法修改 (1/726) zhxbaig 2011-04-20 2011-04-20 18:39:13 by xujc1983
[MS] 【求助】Au(111)属于纳米级别么 (5/534) liujie5631 2011-04-16 2011-04-20 15:45:01 by amynliou
[MS] 【求助】关于castep的输入及参数 (7/1082) zhanping 2010-01-22 2011-04-20 12:41:23 by Zpffpz
[MS] 【求助】MS中的castep收敛问题 (4/1548) reveru 2011-03-10 2011-04-20 08:22:39 by hecking
[MS] 【求助】请问castep中如何分析内建场强度 (3/908) yaodu 2010-12-09 2011-04-19 17:00:53 by yaodu
[MS] 【讨论】MS计算输出文件无法显示扩展名怎么办? (2/825) chdx0618 2011-03-21 2011-04-19 16:28:08 by yaodu
[MS] 【求助】关于MS计算的输入问题 (2/295) guohui_Hao 2010-12-15 2011-04-19 13:47:52 by guohui_Hao
[MS] 【求助】DOS 计算求助 (1/428) 562931235 2011-04-16 2011-04-19 12:52:35 by zwz0902
[MS] [已完结]【新手求助】CASTEP运行的一个warning (0/978) 学员8sgqGD 2011-04-19 2011-04-19 11:37:42 by zwz0902
[MS] 【求助】关于加电场计算性质的问题 (12/1566) meimeinn 2011-03-31 2011-04-19 11:18:41 by frank_zhan
[MS] 【求助】dmol3 过渡态消虚频!! (4/2587) juty136 2011-03-21 2011-04-19 09:51:08 by juty136
[MS] [已完结]急需求助 (1ST强帖+1)(2/210) nwx_ky 2011-04-19 2011-04-19 09:47:15 by nwx_ky
[MS] 【求助】display style 中的cpk-scale的是什么意思? (4/2496) fishfly80 2010-03-10 2011-04-19 09:39:14 by jianxian20
[MS] [已完结]能带图,晶格常数的问题 (6/1128) 李佳佳佳 2011-04-18 2011-04-19 09:29:25 by anin
[MS] 【求助】利用ms怎么画出费米面? (2/724) feierxide 2011-03-28 2011-04-19 09:21:34 by feierxide
[MS] 【求助】向大家请教Mn掺杂ZnO计算时的参数设置问题 (3/994) jinbiandou 2011-04-17 2011-04-19 09:08:42 by jinbiandou
[MS] 【求助】有谁用过amorphous cell 吗 (5/937) Excaliburn 2011-03-17 2011-04-19 09:02:03 by fu19871111
[MS] [已完结]dmol 算能量出现问题 (2/333) yshl7237 2011-04-18 2011-04-19 08:53:47 by yshl7237
[MS] IR计算 (0/721) yaoyinhua 2011-04-19 2011-04-19 08:48:27 by yaoyinhua
[MS] ZnO的能带 (7/1630) yaoyinhua 2011-04-18 2011-04-19 08:43:18 by yaoyinhua
[MS] 【求助】Dmol 优化问题,能量曲线走高,但是收敛曲线是收敛的 (5/1186) 秋猫 2011-03-17 2011-04-18 21:58:09 by yshl7237
[MS] [已完结]MS5.5的安装问题 (3/558) feass2 2011-04-18 2011-04-18 21:00:52 by jiewei
[MS] [已完结]求助建纳米晶体 (0/231) 花魅山青 2011-04-18 2011-04-18 16:30:07 by 花魅山青
[MS] [已完结]DMOL3过渡态优化结果不解 (0/654) niuxiaoqi721 2011-04-18 2011-04-18 15:30:10 by niuxiaoqi721
[MS] 【求助】castep 加U该如何 设置 (急 急 急!!!!) (2/1539) guodonglin 2011-04-15 2011-04-18 15:16:38 by hecking
[MS] 计算求助 (0/206) fagege2010 2011-04-18 2011-04-18 14:46:17 by fagege2010
[MS] [已完结]MS 建模 (0/429) lionel770 2011-04-18 2011-04-18 14:45:56 by lionel770
[MS] [已完结]关于“FFT grid”问题 (1/2038) qiudong1009 2011-04-18 2011-04-18 14:24:53 by gougou531
[MS] 【求助】MS计算停止的疑惑 (2/623) liangziguangxue 2011-04-16 2011-04-18 06:30:42 by liangziguangxue
[MS] 【求助成功】关于迁移势垒的问题 (1/814) ahu1221 2011-04-17 2011-04-17 22:32:16 by ahu1221
[MS] 【求助】MS下的GULP模块求助 (1/555) 673454360 2011-04-17 2011-04-17 20:08:57 by 673454360
[MS] 【求助】materials studio 5.0 安装问题 (请各位高手指点 急!!!) (11/1848) x163_yu 2011-04-13 2011-04-17 20:06:09 by yuan8863
[MS] 【求助】多原子结构supercell的k点选择 (3/890) susie8642 2011-04-15 2011-04-17 17:23:04 by susie8642
[MS] 【求助】请问,如何只删除晶胞中的某一个原子呢? 有图 (4/1612) tranquilseaside 2011-04-17 2011-04-17 15:44:53 by gxzong
[MS] 【求助】MS,前人工作是根据热容和自扩散系数判断,能否根据密度变化判断???? (0/323) rzhheart 2011-04-17 2011-04-17 15:15:50 by rzhheart
[MS] 【求助】求助 (2/212) 瞬间永恒 2011-03-23 2011-04-17 13:20:36 by 瞬间永恒
[MS] [关贴]【求助完毕】请问:MS中产生的.dis文件怎么转化为轨迹文件呢? (评阅+2) (1/519) chenxiankai 2011-04-12 2011-04-17 11:52:15 by zyxme
[MS] 【求助】怎样从建立三维周期晶胞,然后再切割成纳米结构?? (4/1355) lixiao85 2011-04-08 2011-04-17 11:19:12 by spring5908
[MS] 【求助】用Dmol3计算得到的态密度图看不懂,应该看哪方面书来解决 (3/783) zhuzisummer 2011-04-15 2011-04-17 10:29:17 by zhuzisummer
[MS] 【求助成功】求助!关于机器重启后计算的问题 (3/343) dragon0508 2011-04-16 2011-04-17 09:25:14 by houfeifan
[MS] [求助]模拟的劈出表面是什么? (4/872) 安德 2011-02-24 2011-04-17 09:00:03 by seyou
[MS] [关贴]【求助】gateway server console 问题 (0/619) njuctchem 2011-04-17 2011-04-17 00:10:56 by njuctchem
[MS] 【求助】自由基的能量计算 (13/2018) 风清扬dlut 2011-04-12 2011-04-16 23:31:40 by 风清扬dlut
[MS] 【求助】Dmol3 的问题 (0/385) zhuzisummer 2011-04-16 2011-04-16 21:05:16 by zhuzisummer
[MS] 【求助】薄膜擴散建模方法 (2/294) alphawei 2011-04-09 2011-04-16 13:02:07 by alphawei
[MS] 【求助完成】Linux下安装MS5.5遇到问题 (4/864) kaiwddf 2011-04-15 2011-04-16 12:49:02 by kaiwddf
[MS] 【求助】MS 错误 (2/207) 05111034 2010-07-14 2011-04-16 11:23:54 by Andyzd
[MS] 【求助】急求 (3/674) lm214019 2011-04-15 2011-04-16 11:11:03 by 御剑江湖
[MS] 【求助】Discover 里的 line search是什么意思? (2/347) 沁园春·雪 2011-03-30 2011-04-16 08:46:30 by 沁园春·雪
[MS] 【求助】弱弱地问一句。 (8/1056) interwc 2011-04-14 2011-04-16 03:27:51 by babaleo
[MS] 【求助】计算态密度 (6/781) 朱雪婷 2011-04-15 2011-04-15 21:51:52 by 朱雪婷
[MS] 【求助】吉布斯自由能 (6/1365) wunianleng 2011-04-13 2011-04-15 14:53:51 by wunianleng
[MS] 【求助成功】优化问题的求助!谢谢! (9/764) 尹珺加油 2011-03-20 2011-04-15 14:25:59 by dlthl
[MS] 【求助成功】弱问一下,在castep中怎样获得一个原子的受力呢? (1/346) susie8642 2011-04-15 2011-04-15 13:56:50 by susie8642
[MS] 【求助】计算出错 (0/178) liuhongge1 2011-04-15 2011-04-15 11:29:16 by liuhongge1
[MS] 【求助】fedora core 上安装MS (0/228) zjuer 2011-04-15 2011-04-15 11:05:24 by zjuer
[MS] 【求助】MS测溶液结晶相变点模块请教! (0/455) pinkrose 2011-04-15 2011-04-15 10:30:16 by pinkrose
[MS] 【求助成功】在MS软件中,怎样复制一个原胞去建立超晶胞? (2/3032) dragon0508 2011-04-14 2011-04-15 10:27:42 by phys
[MS] 【求助】MS5.0关于计算拉曼光谱 (5/1508) guolianshun 2010-10-29 2011-04-15 10:17:38 by susie8642
[MS] 【求助】MS,沸石结构散开了,跪求高手指点! (1/505) 海洋kissy 2011-04-15 2011-04-15 10:13:35 by yaodu
[MS] 【求助】学习materials stuodio 首先要懂哪些基础知识? (5/1190) seyou 2011-04-14 2011-04-15 10:01:18 by hanpeng972
[MS] 【求助】MS沸石进行几何优化后怎样找优化后的结构 (2/539) 一粟待海 2010-12-27 2011-04-15 09:56:57 by 海洋kissy
[MS] 【求助】关于dmol3中吉布斯自由能的问题 (2/1245) juty136 2011-04-13 2011-04-15 09:17:32 by 冷寂123
[MS] 【求助】请问为什么我的discover模块的分析功能没有被激活呢? (0/234) chenxiankai 2011-04-14 2011-04-14 20:28:59 by chenxiankai
[MS] 【求助成功】MS遇到问题打不开 (1/652) qiudong1009 2011-04-14 2011-04-14 15:44:39 by zhang668
[MS] 【求助】降低 max iteration,设置多少合适? (4/1814) wzh871115 2011-04-13 2011-04-14 13:38:43 by wzh871115
[MS] 【其他】发个小讨论~请问你是自学MS还是有人指导呢?    ( 1 2 3 4 ) (30/1580) 水之源 2011-03-25 2011-04-14 10:45:53 by 花魅山青
[MS] 【求助】各位同仁 请问DMOL3 软件可以计算S2吗。 (0/165) lvjin 2011-04-14 2011-04-14 09:43:05 by lvjin
[MS] 【求助】有人用discover这个模块的没 希望共同讨论 (0/228) seyou 2011-04-14 2011-04-14 09:29:20 by seyou
[MS] 【求助成功】计算晶体前关于优化次数 (8/767) 尹珺加油 2011-03-16 2011-04-13 22:30:04 by gougou531
[MS] [关贴]【求助】NAMD (1/234) liaoliqiong 2011-04-13 2011-04-13 20:16:54 by c00jsw00
[MS] 【求助】请问用分子动力学(MD)计算溶液中的自组装可行吗? (2/729) wzg33 2011-03-16 2011-04-13 18:56:45 by bingmou
[MS] 【求助】有一个超胞结构 某部分被其它结构替代 怎么找到最终的结构呢? (2/278) tc1788 2011-04-08 2011-04-13 18:31:15 by tc1788
[MS] 【求助】二硒化钌是什么构型的分子 (0/608) xmr0125 2011-04-13 2011-04-13 16:54:28 by xmr0125
[MS] 【求助】菜鸟求助 (5/983) chenxiankai 2011-04-13 2011-04-13 15:35:08 by chenxiankai
[MS] 【求助】关于MS的一个问题 (4/513) llg1987 2011-04-12 2011-04-13 12:42:35 by llg1987
[MS] 【求助】γ-Fe结构优化不成功 (0/272) ysdxkangjie 2011-04-13 2011-04-13 09:26:14 by ysdxkangjie
[MS] 【求助成功】CASTEP计算ZnO时,如何设置O: 2 s2 2 p4; Zn: 3 d10 4 s2,谢谢 (7/905) jinbiandou 2011-04-12 2011-04-13 09:16:34 by jinbiandou
[MS] 【求助】MS可以用来预测晶体结构吗??? (4/693) pengjiutian 2011-04-12 2011-04-13 00:54:45 by phys
[MS] 【求助】castep结构优化出现这样的BFGS 这样的warning (1/383) btvipvip 2010-08-20 2011-04-12 22:52:47 by cshcgy
[MS] 【求助成功】在同一能量位置处s与s相互左右相对于s与p相互作用的强弱? (6/743) freshman8185 2011-04-12 2011-04-12 22:47:59 by freshman8185
[MS] 【求助】DMol3算有机分子的态密度计算结果出现2个outmol ,怎样绘出态密度图并分析 (金币≥90)(0/33) zhuzisummer 2011-04-12 2011-04-12 22:36:17 by zhuzisummer
[MS] 【求助】CASTEP中空带的问题,急求回答 (1/589) alix 2011-04-12 2011-04-12 21:21:32 by jinbiandou
[MS] 【求助】新手求助:怎样构造含有三种元素的晶体结构 (10/1364) pengjiutian 2011-04-11 2011-04-12 19:48:20 by ellsaking
[MS] [关贴]【求助】分子模拟对反应机理怎么入手、晶胞参数 (2/380) xiaoyue1610 2011-04-10 2011-04-12 18:18:11 by 萱月琪琪
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